data_18323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18323 _Entry.Title ; Solution structure of the calcium-bound CaM C-terminal domain in a complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-10 _Entry.Accession_date 2012-03-10 _Entry.Last_release_date 2012-03-15 _Entry.Original_release_date 2012-03-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Zhihong Liu . . . . 18323 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18323 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CaM . 18323 NSCaTE . 18323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 18323 '15N chemical shifts' 68 18323 '1H chemical shifts' 250 18323 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-08 . original BMRB . 18323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQP 'BMRB Entry Tracking System' 18323 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18323 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22518098 _Citation.Full_citation . _Citation.Title ; Structural basis for the regulation of L-type voltage-gated calcium channels: interactions between the N-terminal cytoplasmic domain and Ca(2+)-calmodulin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Neurosci.' _Citation.Journal_name_full 'Frontiers in molecular neuroscience' _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 38 _Citation.Page_last 38 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhihong Liu . . . . 18323 1 2 Hans Vogel . J. . . 18323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18323 _Assembly.ID 1 _Assembly.Name 'calcium-bound CaM C-terminal domain in a complex' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'calcium-bound CaM C-terminal domain in a complex' 1 $CaM A . yes native no no . . . 18323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 18323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DTDSEEEIREAFRVFDKDGN GYISAAELRHVMTNLGEKLT DEEVDEMIREADIDGDGQVN YEEFVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8155.886 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 78 ASP . 18323 1 2 79 THR . 18323 1 3 80 ASP . 18323 1 4 81 SER . 18323 1 5 82 GLU . 18323 1 6 83 GLU . 18323 1 7 84 GLU . 18323 1 8 85 ILE . 18323 1 9 86 ARG . 18323 1 10 87 GLU . 18323 1 11 88 ALA . 18323 1 12 89 PHE . 18323 1 13 90 ARG . 18323 1 14 91 VAL . 18323 1 15 92 PHE . 18323 1 16 93 ASP . 18323 1 17 94 LYS . 18323 1 18 95 ASP . 18323 1 19 96 GLY . 18323 1 20 97 ASN . 18323 1 21 98 GLY . 18323 1 22 99 TYR . 18323 1 23 100 ILE . 18323 1 24 101 SER . 18323 1 25 102 ALA . 18323 1 26 103 ALA . 18323 1 27 104 GLU . 18323 1 28 105 LEU . 18323 1 29 106 ARG . 18323 1 30 107 HIS . 18323 1 31 108 VAL . 18323 1 32 109 MET . 18323 1 33 110 THR . 18323 1 34 111 ASN . 18323 1 35 112 LEU . 18323 1 36 113 GLY . 18323 1 37 114 GLU . 18323 1 38 115 LYS . 18323 1 39 116 LEU . 18323 1 40 117 THR . 18323 1 41 118 ASP . 18323 1 42 119 GLU . 18323 1 43 120 GLU . 18323 1 44 121 VAL . 18323 1 45 122 ASP . 18323 1 46 123 GLU . 18323 1 47 124 MET . 18323 1 48 125 ILE . 18323 1 49 126 ARG . 18323 1 50 127 GLU . 18323 1 51 128 ALA . 18323 1 52 129 ASP . 18323 1 53 130 ILE . 18323 1 54 131 ASP . 18323 1 55 132 GLY . 18323 1 56 133 ASP . 18323 1 57 134 GLY . 18323 1 58 135 GLN . 18323 1 59 136 VAL . 18323 1 60 137 ASN . 18323 1 61 138 TYR . 18323 1 62 139 GLU . 18323 1 63 140 GLU . 18323 1 64 141 PHE . 18323 1 65 142 VAL . 18323 1 66 143 GLN . 18323 1 67 144 MET . 18323 1 68 145 MET . 18323 1 69 146 THR . 18323 1 70 147 ALA . 18323 1 71 148 LYS . 18323 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 18323 1 . THR 2 2 18323 1 . ASP 3 3 18323 1 . SER 4 4 18323 1 . GLU 5 5 18323 1 . GLU 6 6 18323 1 . GLU 7 7 18323 1 . ILE 8 8 18323 1 . ARG 9 9 18323 1 . GLU 10 10 18323 1 . ALA 11 11 18323 1 . PHE 12 12 18323 1 . ARG 13 13 18323 1 . VAL 14 14 18323 1 . PHE 15 15 18323 1 . ASP 16 16 18323 1 . LYS 17 17 18323 1 . ASP 18 18 18323 1 . GLY 19 19 18323 1 . ASN 20 20 18323 1 . GLY 21 21 18323 1 . TYR 22 22 18323 1 . ILE 23 23 18323 1 . SER 24 24 18323 1 . ALA 25 25 18323 1 . ALA 26 26 18323 1 . GLU 27 27 18323 1 . LEU 28 28 18323 1 . ARG 29 29 18323 1 . HIS 30 30 18323 1 . VAL 31 31 18323 1 . MET 32 32 18323 1 . THR 33 33 18323 1 . ASN 34 34 18323 1 . LEU 35 35 18323 1 . GLY 36 36 18323 1 . GLU 37 37 18323 1 . LYS 38 38 18323 1 . LEU 39 39 18323 1 . THR 40 40 18323 1 . ASP 41 41 18323 1 . GLU 42 42 18323 1 . GLU 43 43 18323 1 . VAL 44 44 18323 1 . ASP 45 45 18323 1 . GLU 46 46 18323 1 . MET 47 47 18323 1 . ILE 48 48 18323 1 . ARG 49 49 18323 1 . GLU 50 50 18323 1 . ALA 51 51 18323 1 . ASP 52 52 18323 1 . ILE 53 53 18323 1 . ASP 54 54 18323 1 . GLY 55 55 18323 1 . ASP 56 56 18323 1 . GLY 57 57 18323 1 . GLN 58 58 18323 1 . VAL 59 59 18323 1 . ASN 60 60 18323 1 . TYR 61 61 18323 1 . GLU 62 62 18323 1 . GLU 63 63 18323 1 . PHE 64 64 18323 1 . VAL 65 65 18323 1 . GLN 66 66 18323 1 . MET 67 67 18323 1 . MET 68 68 18323 1 . THR 69 69 18323 1 . ALA 70 70 18323 1 . LYS 71 71 18323 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18323 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18323 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18323 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET30b . . . 18323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18323 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM 'natural abundance' . . 1 $CaM . . 1.0 . . mM . . . . 18323 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18323 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18323 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18323 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18323 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 18323 1 pH 7.0 . pH 18323 1 pressure 1 . atm 18323 1 temperature 298 . K 18323 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18323 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18323 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18323 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18323 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18323 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18323 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18323 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18323 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18323 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18323 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18323 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18323 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18323 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18323 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18323 5 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18323 _Software.ID 6 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18323 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18323 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18323 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18323 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18323 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 11 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18323 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18323 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18323 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18323 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18323 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18323 1 3 '3D CBCA(CO)NH' . . . 18323 1 4 '3D C(CO)NH' . . . 18323 1 5 '3D HNCO' . . . 18323 1 6 '3D HNCACB' . . . 18323 1 7 '3D H(CCO)NH' . . . 18323 1 11 '3D HCACO' . . . 18323 1 13 '3D HBHA(CO)NH' . . . 18323 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.7250 0.01 . 1 . . . . A 78 ASP HA . 18323 1 2 . 1 1 1 1 ASP HB2 H 1 2.7610 0.01 . 2 . . . . A 78 ASP HB2 . 18323 1 3 . 1 1 1 1 ASP C C 13 176.1730 0.2 . 1 . . . . A 78 ASP C . 18323 1 4 . 1 1 1 1 ASP CA C 13 54.6600 0.2 . 1 . . . . A 78 ASP CA . 18323 1 5 . 1 1 1 1 ASP CB C 13 41.1820 0.2 . 1 . . . . A 78 ASP CB . 18323 1 6 . 1 1 2 2 THR H H 1 8.2990 0.01 . 1 . . . . A 79 THR H . 18323 1 7 . 1 1 2 2 THR HA H 1 4.2810 0.01 . 1 . . . . A 79 THR HA . 18323 1 8 . 1 1 2 2 THR HG21 H 1 1.2080 0.01 . 1 . . . . A 79 THR HG21 . 18323 1 9 . 1 1 2 2 THR HG22 H 1 1.2080 0.01 . 1 . . . . A 79 THR HG22 . 18323 1 10 . 1 1 2 2 THR HG23 H 1 1.2080 0.01 . 1 . . . . A 79 THR HG23 . 18323 1 11 . 1 1 2 2 THR C C 13 174.5980 0.2 . 1 . . . . A 79 THR C . 18323 1 12 . 1 1 2 2 THR CA C 13 62.2780 0.2 . 1 . . . . A 79 THR CA . 18323 1 13 . 1 1 2 2 THR CB C 13 69.3100 0.2 . 1 . . . . A 79 THR CB . 18323 1 14 . 1 1 2 2 THR CG2 C 13 21.7900 0.2 . 1 . . . . A 79 THR CG2 . 18323 1 15 . 1 1 2 2 THR N N 15 114.2870 0.1 . 1 . . . . A 79 THR N . 18323 1 16 . 1 1 3 3 ASP H H 1 8.4470 0.01 . 1 . . . . A 80 ASP H . 18323 1 17 . 1 1 3 3 ASP HB2 H 1 2.7200 0.01 . 2 . . . . A 80 ASP HB2 . 18323 1 18 . 1 1 3 3 ASP C C 13 176.7880 0.2 . 1 . . . . A 80 ASP C . 18323 1 19 . 1 1 3 3 ASP CA C 13 54.6600 0.2 . 1 . . . . A 80 ASP CA . 18323 1 20 . 1 1 3 3 ASP CB C 13 41.1820 0.2 . 1 . . . . A 80 ASP CB . 18323 1 21 . 1 1 3 3 ASP N N 15 122.3110 0.1 . 1 . . . . A 80 ASP N . 18323 1 22 . 1 1 4 4 SER H H 1 8.3510 0.01 . 1 . . . . A 81 SER H . 18323 1 23 . 1 1 4 4 SER HA H 1 4.0220 0.01 . 1 . . . . A 81 SER HA . 18323 1 24 . 1 1 4 4 SER C C 13 175.3370 0.2 . 1 . . . . A 81 SER C . 18323 1 25 . 1 1 4 4 SER CA C 13 58.7620 0.2 . 1 . . . . A 81 SER CA . 18323 1 26 . 1 1 4 4 SER CB C 13 64.0360 0.2 . 1 . . . . A 81 SER CB . 18323 1 27 . 1 1 4 4 SER N N 15 116.9340 0.1 . 1 . . . . A 81 SER N . 18323 1 28 . 1 1 5 5 GLU H H 1 8.5880 0.01 . 1 . . . . A 82 GLU H . 18323 1 29 . 1 1 5 5 GLU HA H 1 4.1120 0.01 . 1 . . . . A 82 GLU HA . 18323 1 30 . 1 1 5 5 GLU HB2 H 1 1.8920 0.01 . 2 . . . . A 82 GLU HB2 . 18323 1 31 . 1 1 5 5 GLU HB3 H 1 1.5450 0.01 . 2 . . . . A 82 GLU HB3 . 18323 1 32 . 1 1 5 5 GLU HG2 H 1 2.3560 0.01 . 2 . . . . A 82 GLU HG2 . 18323 1 33 . 1 1 5 5 GLU C C 13 178.0670 0.2 . 1 . . . . A 82 GLU C . 18323 1 34 . 1 1 5 5 GLU CA C 13 59.3480 0.2 . 1 . . . . A 82 GLU CA . 18323 1 35 . 1 1 5 5 GLU CB C 13 46.7490 0.2 . 1 . . . . A 82 GLU CB . 18323 1 36 . 1 1 5 5 GLU CG C 13 36.4670 0.2 . 1 . . . . A 82 GLU CG . 18323 1 37 . 1 1 5 5 GLU N N 15 123.4230 0.1 . 1 . . . . A 82 GLU N . 18323 1 38 . 1 1 6 6 GLU H H 1 8.4120 0.01 . 1 . . . . A 83 GLU H . 18323 1 39 . 1 1 6 6 GLU CA C 13 59.3480 0.2 . 1 . . . . A 83 GLU CA . 18323 1 40 . 1 1 6 6 GLU CB C 13 29.4620 0.2 . 1 . . . . A 83 GLU CB . 18323 1 41 . 1 1 6 6 GLU N N 15 118.9870 0.1 . 1 . . . . A 83 GLU N . 18323 1 42 . 1 1 7 7 GLU HA H 1 4.1160 0.01 . 1 . . . . A 84 GLU HA . 18323 1 43 . 1 1 7 7 GLU HG2 H 1 2.3820 0.01 . 2 . . . . A 84 GLU HG2 . 18323 1 44 . 1 1 7 7 GLU C C 13 178.9690 0.2 . 1 . . . . A 84 GLU C . 18323 1 45 . 1 1 7 7 GLU CA C 13 59.3480 0.2 . 1 . . . . A 84 GLU CA . 18323 1 46 . 1 1 7 7 GLU CB C 13 29.4620 0.2 . 1 . . . . A 84 GLU CB . 18323 1 47 . 1 1 7 7 GLU CG C 13 36.5490 0.2 . 1 . . . . A 84 GLU CG . 18323 1 48 . 1 1 8 8 ILE H H 1 8.0010 0.01 . 1 . . . . A 85 ILE H . 18323 1 49 . 1 1 8 8 ILE HA H 1 3.9170 0.01 . 1 . . . . A 85 ILE HA . 18323 1 50 . 1 1 8 8 ILE HG12 H 1 2.1810 0.01 . 2 . . . . A 85 ILE HG12 . 18323 1 51 . 1 1 8 8 ILE C C 13 178.2830 0.2 . 1 . . . . A 85 ILE C . 18323 1 52 . 1 1 8 8 ILE CA C 13 65.2080 0.2 . 1 . . . . A 85 ILE CA . 18323 1 53 . 1 1 8 8 ILE CB C 13 37.0800 0.2 . 1 . . . . A 85 ILE CB . 18323 1 54 . 1 1 8 8 ILE CG1 C 13 28.7030 0.2 . 1 . . . . A 85 ILE CG1 . 18323 1 55 . 1 1 8 8 ILE CG2 C 13 18.9700 0.2 . 1 . . . . A 85 ILE CG2 . 18323 1 56 . 1 1 8 8 ILE CD1 C 13 13.1920 0.2 . 1 . . . . A 85 ILE CD1 . 18323 1 57 . 1 1 8 8 ILE N N 15 121.8390 0.1 . 1 . . . . A 85 ILE N . 18323 1 58 . 1 1 9 9 ARG H H 1 8.5440 0.01 . 1 . . . . A 86 ARG H . 18323 1 59 . 1 1 9 9 ARG HA H 1 4.2600 0.01 . 1 . . . . A 86 ARG HA . 18323 1 60 . 1 1 9 9 ARG HB2 H 1 1.8470 0.01 . 2 . . . . A 86 ARG HB2 . 18323 1 61 . 1 1 9 9 ARG HG2 H 1 1.5840 0.01 . 2 . . . . A 86 ARG HG2 . 18323 1 62 . 1 1 9 9 ARG HD3 H 1 3.1610 0.01 . 2 . . . . A 86 ARG HD3 . 18323 1 63 . 1 1 9 9 ARG C C 13 179.2910 0.2 . 1 . . . . A 86 ARG C . 18323 1 64 . 1 1 9 9 ARG CA C 13 59.9340 0.2 . 1 . . . . A 86 ARG CA . 18323 1 65 . 1 1 9 9 ARG CB C 13 29.4620 0.2 . 1 . . . . A 86 ARG CB . 18323 1 66 . 1 1 9 9 ARG CG C 13 27.4140 0.2 . 1 . . . . A 86 ARG CG . 18323 1 67 . 1 1 9 9 ARG CD C 13 43.1260 0.2 . 1 . . . . A 86 ARG CD . 18323 1 68 . 1 1 9 9 ARG N N 15 121.3280 0.1 . 1 . . . . A 86 ARG N . 18323 1 69 . 1 1 10 10 GLU H H 1 8.2250 0.01 . 1 . . . . A 87 GLU H . 18323 1 70 . 1 1 10 10 GLU HA H 1 4.1160 0.01 . 1 . . . . A 87 GLU HA . 18323 1 71 . 1 1 10 10 GLU HG2 H 1 2.3820 0.01 . 2 . . . . A 87 GLU HG2 . 18323 1 72 . 1 1 10 10 GLU C C 13 179.4980 0.2 . 1 . . . . A 87 GLU C . 18323 1 73 . 1 1 10 10 GLU CA C 13 59.3480 0.2 . 1 . . . . A 87 GLU CA . 18323 1 74 . 1 1 10 10 GLU CB C 13 29.4620 0.2 . 1 . . . . A 87 GLU CB . 18323 1 75 . 1 1 10 10 GLU CG C 13 36.5490 0.2 . 1 . . . . A 87 GLU CG . 18323 1 76 . 1 1 10 10 GLU N N 15 118.3320 0.1 . 1 . . . . A 87 GLU N . 18323 1 77 . 1 1 11 11 ALA H H 1 8.0010 0.01 . 1 . . . . A 88 ALA H . 18323 1 78 . 1 1 11 11 ALA HA H 1 4.2430 0.01 . 1 . . . . A 88 ALA HA . 18323 1 79 . 1 1 11 11 ALA HB1 H 1 1.8930 0.01 . 1 . . . . A 88 ALA HB1 . 18323 1 80 . 1 1 11 11 ALA HB2 H 1 1.8930 0.01 . 1 . . . . A 88 ALA HB2 . 18323 1 81 . 1 1 11 11 ALA HB3 H 1 1.8930 0.01 . 1 . . . . A 88 ALA HB3 . 18323 1 82 . 1 1 11 11 ALA C C 13 176.7150 0.2 . 1 . . . . A 88 ALA C . 18323 1 83 . 1 1 11 11 ALA CA C 13 55.2460 0.2 . 1 . . . . A 88 ALA CA . 18323 1 84 . 1 1 11 11 ALA CB C 13 18.1360 0.2 . 1 . . . . A 88 ALA CB . 18323 1 85 . 1 1 11 11 ALA N N 15 121.8390 0.1 . 1 . . . . A 88 ALA N . 18323 1 86 . 1 1 12 12 PHE H H 1 8.6300 0.01 . 1 . . . . A 89 PHE H . 18323 1 87 . 1 1 12 12 PHE HA H 1 4.9340 0.01 . 1 . . . . A 89 PHE HA . 18323 1 88 . 1 1 12 12 PHE HB2 H 1 2.9300 0.01 . 2 . . . . A 89 PHE HB2 . 18323 1 89 . 1 1 12 12 PHE C C 13 177.3700 0.2 . 1 . . . . A 89 PHE C . 18323 1 90 . 1 1 12 12 PHE CA C 13 62.2780 0.2 . 1 . . . . A 89 PHE CA . 18323 1 91 . 1 1 12 12 PHE CB C 13 39.4240 0.2 . 1 . . . . A 89 PHE CB . 18323 1 92 . 1 1 12 12 PHE N N 15 118.7940 0.1 . 1 . . . . A 89 PHE N . 18323 1 93 . 1 1 13 13 ARG H H 1 7.8910 0.01 . 1 . . . . A 90 ARG H . 18323 1 94 . 1 1 13 13 ARG HA H 1 3.8620 0.01 . 1 . . . . A 90 ARG HA . 18323 1 95 . 1 1 13 13 ARG HB2 H 1 1.9850 0.01 . 2 . . . . A 90 ARG HB2 . 18323 1 96 . 1 1 13 13 ARG HG2 H 1 1.7420 0.01 . 2 . . . . A 90 ARG HG2 . 18323 1 97 . 1 1 13 13 ARG HD3 H 1 3.2580 0.01 . 2 . . . . A 90 ARG HD3 . 18323 1 98 . 1 1 13 13 ARG C C 13 177.5900 0.2 . 1 . . . . A 90 ARG C . 18323 1 99 . 1 1 13 13 ARG CA C 13 58.7620 0.2 . 1 . . . . A 90 ARG CA . 18323 1 100 . 1 1 13 13 ARG CB C 13 30.0480 0.2 . 1 . . . . A 90 ARG CB . 18323 1 101 . 1 1 13 13 ARG CG C 13 28.0550 0.2 . 1 . . . . A 90 ARG CG . 18323 1 102 . 1 1 13 13 ARG CD C 13 43.5780 0.2 . 1 . . . . A 90 ARG CD . 18323 1 103 . 1 1 13 13 ARG N N 15 115.8370 0.1 . 1 . . . . A 90 ARG N . 18323 1 104 . 1 1 14 14 VAL H H 1 7.4070 0.01 . 1 . . . . A 91 VAL H . 18323 1 105 . 1 1 14 14 VAL C C 13 176.3430 0.2 . 1 . . . . A 91 VAL C . 18323 1 106 . 1 1 14 14 VAL CA C 13 65.7940 0.2 . 1 . . . . A 91 VAL CA . 18323 1 107 . 1 1 14 14 VAL CB C 13 31.2200 0.2 . 1 . . . . A 91 VAL CB . 18323 1 108 . 1 1 14 14 VAL CG1 C 13 20.9990 0.2 . 2 . . . . A 91 VAL CG1 . 18323 1 109 . 1 1 14 14 VAL CG2 C 13 23.0330 0.2 . 2 . . . . A 91 VAL CG2 . 18323 1 110 . 1 1 14 14 VAL N N 15 118.3820 0.1 . 1 . . . . A 91 VAL N . 18323 1 111 . 1 1 15 15 PHE H H 1 6.8920 0.01 . 1 . . . . A 92 PHE H . 18323 1 112 . 1 1 15 15 PHE HA H 1 4.6610 0.01 . 1 . . . . A 92 PHE HA . 18323 1 113 . 1 1 15 15 PHE HB2 H 1 2.8540 0.01 . 2 . . . . A 92 PHE HB2 . 18323 1 114 . 1 1 15 15 PHE HB3 H 1 2.6570 0.01 . 2 . . . . A 92 PHE HB3 . 18323 1 115 . 1 1 15 15 PHE C C 13 176.3780 0.2 . 1 . . . . A 92 PHE C . 18323 1 116 . 1 1 15 15 PHE CA C 13 59.9340 0.2 . 1 . . . . A 92 PHE CA . 18323 1 117 . 1 1 15 15 PHE CB C 13 41.1820 0.2 . 1 . . . . A 92 PHE CB . 18323 1 118 . 1 1 15 15 PHE N N 15 114.2570 0.1 . 1 . . . . A 92 PHE N . 18323 1 119 . 1 1 16 16 ASP H H 1 7.8470 0.01 . 1 . . . . A 93 ASP H . 18323 1 120 . 1 1 16 16 ASP HA H 1 4.6170 0.01 . 1 . . . . A 93 ASP HA . 18323 1 121 . 1 1 16 16 ASP HB2 H 1 2.1650 0.01 . 2 . . . . A 93 ASP HB2 . 18323 1 122 . 1 1 16 16 ASP HB3 H 1 1.3450 0.01 . 2 . . . . A 93 ASP HB3 . 18323 1 123 . 1 1 16 16 ASP C C 13 177.6950 0.2 . 1 . . . . A 93 ASP C . 18323 1 124 . 1 1 16 16 ASP CA C 13 51.7300 0.2 . 1 . . . . A 93 ASP CA . 18323 1 125 . 1 1 16 16 ASP CB C 13 38.8380 0.2 . 1 . . . . A 93 ASP CB . 18323 1 126 . 1 1 16 16 ASP N N 15 116.2880 0.1 . 1 . . . . A 93 ASP N . 18323 1 127 . 1 1 17 17 LYS H H 1 7.6620 0.01 . 1 . . . . A 94 LYS H . 18323 1 128 . 1 1 17 17 LYS HA H 1 3.8890 0.01 . 1 . . . . A 94 LYS HA . 18323 1 129 . 1 1 17 17 LYS HB2 H 1 1.8370 0.01 . 2 . . . . A 94 LYS HB2 . 18323 1 130 . 1 1 17 17 LYS HD3 H 1 1.5480 0.01 . 2 . . . . A 94 LYS HD3 . 18323 1 131 . 1 1 17 17 LYS HE3 H 1 2.7790 0.01 . 2 . . . . A 94 LYS HE3 . 18323 1 132 . 1 1 17 17 LYS C C 13 178.2900 0.2 . 1 . . . . A 94 LYS C . 18323 1 133 . 1 1 17 17 LYS CA C 13 58.7620 0.2 . 1 . . . . A 94 LYS CA . 18323 1 134 . 1 1 17 17 LYS CB C 13 32.3920 0.2 . 1 . . . . A 94 LYS CB . 18323 1 135 . 1 1 17 17 LYS CG C 13 23.8840 0.2 . 1 . . . . A 94 LYS CG . 18323 1 136 . 1 1 17 17 LYS CD C 13 28.1670 0.2 . 1 . . . . A 94 LYS CD . 18323 1 137 . 1 1 17 17 LYS CE C 13 41.4470 0.2 . 1 . . . . A 94 LYS CE . 18323 1 138 . 1 1 17 17 LYS N N 15 125.4400 0.1 . 1 . . . . A 94 LYS N . 18323 1 139 . 1 1 18 18 ASP H H 1 8.3360 0.01 . 1 . . . . A 95 ASP H . 18323 1 140 . 1 1 18 18 ASP HA H 1 4.5670 0.01 . 1 . . . . A 95 ASP HA . 18323 1 141 . 1 1 18 18 ASP HB2 H 1 3.0950 0.01 . 2 . . . . A 95 ASP HB2 . 18323 1 142 . 1 1 18 18 ASP HB3 H 1 2.6770 0.01 . 2 . . . . A 95 ASP HB3 . 18323 1 143 . 1 1 18 18 ASP C C 13 177.8260 0.2 . 1 . . . . A 95 ASP C . 18323 1 144 . 1 1 18 18 ASP CA C 13 52.9020 0.2 . 1 . . . . A 95 ASP CA . 18323 1 145 . 1 1 18 18 ASP CB C 13 39.4240 0.2 . 1 . . . . A 95 ASP CB . 18323 1 146 . 1 1 18 18 ASP N N 15 114.2920 0.1 . 1 . . . . A 95 ASP N . 18323 1 147 . 1 1 19 19 GLY H H 1 7.7970 0.01 . 1 . . . . A 96 GLY H . 18323 1 148 . 1 1 19 19 GLY HA2 H 1 3.8580 0.01 . 2 . . . . A 96 GLY HA2 . 18323 1 149 . 1 1 19 19 GLY C C 13 175.1450 0.2 . 1 . . . . A 96 GLY C . 18323 1 150 . 1 1 19 19 GLY CA C 13 47.0420 0.2 . 1 . . . . A 96 GLY CA . 18323 1 151 . 1 1 19 19 GLY N N 15 109.3740 0.1 . 1 . . . . A 96 GLY N . 18323 1 152 . 1 1 20 20 ASN H H 1 8.4300 0.01 . 1 . . . . A 97 ASN H . 18323 1 153 . 1 1 20 20 ASN HA H 1 4.6700 0.01 . 1 . . . . A 97 ASN HA . 18323 1 154 . 1 1 20 20 ASN HB2 H 1 3.4290 0.01 . 2 . . . . A 97 ASN HB2 . 18323 1 155 . 1 1 20 20 ASN HB3 H 1 2.6890 0.01 . 2 . . . . A 97 ASN HB3 . 18323 1 156 . 1 1 20 20 ASN C C 13 176.1200 0.2 . 1 . . . . A 97 ASN C . 18323 1 157 . 1 1 20 20 ASN CA C 13 52.3160 0.2 . 1 . . . . A 97 ASN CA . 18323 1 158 . 1 1 20 20 ASN CB C 13 38.2520 0.2 . 1 . . . . A 97 ASN CB . 18323 1 159 . 1 1 20 20 ASN N N 15 119.9640 0.1 . 1 . . . . A 97 ASN N . 18323 1 160 . 1 1 21 21 GLY H H 1 10.6380 0.01 . 1 . . . . A 98 GLY H . 18323 1 161 . 1 1 21 21 GLY HA2 H 1 4.1190 0.01 . 2 . . . . A 98 GLY HA2 . 18323 1 162 . 1 1 21 21 GLY HA3 H 1 3.4850 0.01 . 2 . . . . A 98 GLY HA3 . 18323 1 163 . 1 1 21 21 GLY C C 13 172.7510 0.2 . 1 . . . . A 98 GLY C . 18323 1 164 . 1 1 21 21 GLY CA C 13 44.6980 0.2 . 1 . . . . A 98 GLY CA . 18323 1 165 . 1 1 21 21 GLY N N 15 112.7260 0.1 . 1 . . . . A 98 GLY N . 18323 1 166 . 1 1 22 22 TYR H H 1 7.7080 0.01 . 1 . . . . A 99 TYR H . 18323 1 167 . 1 1 22 22 TYR HB2 H 1 2.5660 0.01 . 2 . . . . A 99 TYR HB2 . 18323 1 168 . 1 1 22 22 TYR C C 13 174.7950 0.2 . 1 . . . . A 99 TYR C . 18323 1 169 . 1 1 22 22 TYR CA C 13 56.4180 0.2 . 1 . . . . A 99 TYR CA . 18323 1 170 . 1 1 22 22 TYR CB C 13 42.9400 0.2 . 1 . . . . A 99 TYR CB . 18323 1 171 . 1 1 22 22 TYR N N 15 116.4150 0.1 . 1 . . . . A 99 TYR N . 18323 1 172 . 1 1 23 23 ILE H H 1 10.1970 0.01 . 1 . . . . A 100 ILE H . 18323 1 173 . 1 1 23 23 ILE HG12 H 1 1.1030 0.01 . 2 . . . . A 100 ILE HG12 . 18323 1 174 . 1 1 23 23 ILE C C 13 175.5430 0.2 . 1 . . . . A 100 ILE C . 18323 1 175 . 1 1 23 23 ILE CA C 13 61.1060 0.2 . 1 . . . . A 100 ILE CA . 18323 1 176 . 1 1 23 23 ILE CB C 13 39.4240 0.2 . 1 . . . . A 100 ILE CB . 18323 1 177 . 1 1 23 23 ILE CG1 C 13 26.5390 0.2 . 1 . . . . A 100 ILE CG1 . 18323 1 178 . 1 1 23 23 ILE CG2 C 13 17.5180 0.2 . 1 . . . . A 100 ILE CG2 . 18323 1 179 . 1 1 23 23 ILE CD1 C 13 16.1250 0.2 . 1 . . . . A 100 ILE CD1 . 18323 1 180 . 1 1 23 23 ILE N N 15 127.4880 0.1 . 1 . . . . A 100 ILE N . 18323 1 181 . 1 1 24 24 SER H H 1 8.9980 0.01 . 1 . . . . A 101 SER H . 18323 1 182 . 1 1 24 24 SER HA H 1 4.9730 0.01 . 1 . . . . A 101 SER HA . 18323 1 183 . 1 1 24 24 SER HB2 H 1 4.4900 0.01 . 2 . . . . A 101 SER HB2 . 18323 1 184 . 1 1 24 24 SER HB3 H 1 4.0040 0.01 . 2 . . . . A 101 SER HB3 . 18323 1 185 . 1 1 24 24 SER C C 13 175.3000 0.2 . 1 . . . . A 101 SER C . 18323 1 186 . 1 1 24 24 SER CA C 13 55.8320 0.2 . 1 . . . . A 101 SER CA . 18323 1 187 . 1 1 24 24 SER CB C 13 66.9660 0.2 . 1 . . . . A 101 SER CB . 18323 1 188 . 1 1 24 24 SER N N 15 123.8600 0.1 . 1 . . . . A 101 SER N . 18323 1 189 . 1 1 25 25 ALA H H 1 9.3770 0.01 . 1 . . . . A 102 ALA H . 18323 1 190 . 1 1 25 25 ALA HA H 1 3.9380 0.01 . 1 . . . . A 102 ALA HA . 18323 1 191 . 1 1 25 25 ALA HB1 H 1 1.5260 0.01 . 1 . . . . A 102 ALA HB1 . 18323 1 192 . 1 1 25 25 ALA HB2 H 1 1.5260 0.01 . 1 . . . . A 102 ALA HB2 . 18323 1 193 . 1 1 25 25 ALA HB3 H 1 1.5260 0.01 . 1 . . . . A 102 ALA HB3 . 18323 1 194 . 1 1 25 25 ALA C C 13 179.3240 0.2 . 1 . . . . A 102 ALA C . 18323 1 195 . 1 1 25 25 ALA CA C 13 55.8320 0.2 . 1 . . . . A 102 ALA CA . 18323 1 196 . 1 1 25 25 ALA CB C 13 17.7420 0.2 . 1 . . . . A 102 ALA CB . 18323 1 197 . 1 1 25 25 ALA N N 15 123.3280 0.1 . 1 . . . . A 102 ALA N . 18323 1 198 . 1 1 26 26 ALA H H 1 8.3170 0.01 . 1 . . . . A 103 ALA H . 18323 1 199 . 1 1 26 26 ALA HA H 1 4.0540 0.01 . 1 . . . . A 103 ALA HA . 18323 1 200 . 1 1 26 26 ALA HB1 H 1 1.4430 0.01 . 1 . . . . A 103 ALA HB1 . 18323 1 201 . 1 1 26 26 ALA HB2 H 1 1.4430 0.01 . 1 . . . . A 103 ALA HB2 . 18323 1 202 . 1 1 26 26 ALA HB3 H 1 1.4430 0.01 . 1 . . . . A 103 ALA HB3 . 18323 1 203 . 1 1 26 26 ALA C C 13 181.5350 0.2 . 1 . . . . A 103 ALA C . 18323 1 204 . 1 1 26 26 ALA CA C 13 55.2460 0.2 . 1 . . . . A 103 ALA CA . 18323 1 205 . 1 1 26 26 ALA CB C 13 18.3280 0.2 . 1 . . . . A 103 ALA CB . 18323 1 206 . 1 1 26 26 ALA N N 15 118.5360 0.1 . 1 . . . . A 103 ALA N . 18323 1 207 . 1 1 27 27 GLU H H 1 7.9770 0.01 . 1 . . . . A 104 GLU H . 18323 1 208 . 1 1 27 27 GLU HA H 1 4.0330 0.01 . 1 . . . . A 104 GLU HA . 18323 1 209 . 1 1 27 27 GLU HB2 H 1 2.3110 0.01 . 2 . . . . A 104 GLU HB2 . 18323 1 210 . 1 1 27 27 GLU HG2 H 1 2.5890 0.01 . 2 . . . . A 104 GLU HG2 . 18323 1 211 . 1 1 27 27 GLU HG3 H 1 2.8150 0.01 . 2 . . . . A 104 GLU HG3 . 18323 1 212 . 1 1 27 27 GLU C C 13 178.9500 0.2 . 1 . . . . A 104 GLU C . 18323 1 213 . 1 1 27 27 GLU CA C 13 59.3480 0.2 . 1 . . . . A 104 GLU CA . 18323 1 214 . 1 1 27 27 GLU CB C 13 28.8760 0.2 . 1 . . . . A 104 GLU CB . 18323 1 215 . 1 1 27 27 GLU CG C 13 38.2160 0.2 . 1 . . . . A 104 GLU CG . 18323 1 216 . 1 1 27 27 GLU N N 15 120.4190 0.1 . 1 . . . . A 104 GLU N . 18323 1 217 . 1 1 28 28 LEU H H 1 8.5000 0.01 . 1 . . . . A 105 LEU H . 18323 1 218 . 1 1 28 28 LEU HA H 1 4.1780 0.01 . 1 . . . . A 105 LEU HA . 18323 1 219 . 1 1 28 28 LEU HB2 H 1 1.9200 0.01 . 2 . . . . A 105 LEU HB2 . 18323 1 220 . 1 1 28 28 LEU HG H 1 1.4290 0.01 . 1 . . . . A 105 LEU HG . 18323 1 221 . 1 1 28 28 LEU HD11 H 1 0.6810 0.01 . 2 . . . . A 105 LEU HD11 . 18323 1 222 . 1 1 28 28 LEU HD12 H 1 0.6810 0.01 . 2 . . . . A 105 LEU HD12 . 18323 1 223 . 1 1 28 28 LEU HD13 H 1 0.6810 0.01 . 2 . . . . A 105 LEU HD13 . 18323 1 224 . 1 1 28 28 LEU C C 13 178.4020 0.2 . 1 . . . . A 105 LEU C . 18323 1 225 . 1 1 28 28 LEU CA C 13 58.1760 0.2 . 1 . . . . A 105 LEU CA . 18323 1 226 . 1 1 28 28 LEU CB C 13 41.7680 0.2 . 1 . . . . A 105 LEU CB . 18323 1 227 . 1 1 28 28 LEU CG C 13 26.2740 0.2 . 1 . . . . A 105 LEU CG . 18323 1 228 . 1 1 28 28 LEU CD1 C 13 23.8800 0.2 . 2 . . . . A 105 LEU CD1 . 18323 1 229 . 1 1 28 28 LEU CD2 C 13 23.7270 0.2 . 2 . . . . A 105 LEU CD2 . 18323 1 230 . 1 1 28 28 LEU N N 15 120.6580 0.1 . 1 . . . . A 105 LEU N . 18323 1 231 . 1 1 29 29 ARG H H 1 8.7270 0.01 . 1 . . . . A 106 ARG H . 18323 1 232 . 1 1 29 29 ARG HA H 1 4.0420 0.01 . 1 . . . . A 106 ARG HA . 18323 1 233 . 1 1 29 29 ARG HB2 H 1 1.9510 0.01 . 2 . . . . A 106 ARG HB2 . 18323 1 234 . 1 1 29 29 ARG HG2 H 1 1.6530 0.01 . 2 . . . . A 106 ARG HG2 . 18323 1 235 . 1 1 29 29 ARG HD2 H 1 3.2490 0.01 . 2 . . . . A 106 ARG HD2 . 18323 1 236 . 1 1 29 29 ARG HD3 H 1 2.6520 0.01 . 2 . . . . A 106 ARG HD3 . 18323 1 237 . 1 1 29 29 ARG C C 13 177.5060 0.2 . 1 . . . . A 106 ARG C . 18323 1 238 . 1 1 29 29 ARG CA C 13 59.9340 0.2 . 1 . . . . A 106 ARG CA . 18323 1 239 . 1 1 29 29 ARG CB C 13 30.6340 0.2 . 1 . . . . A 106 ARG CB . 18323 1 240 . 1 1 29 29 ARG CG C 13 27.6950 0.2 . 1 . . . . A 106 ARG CG . 18323 1 241 . 1 1 29 29 ARG CD C 13 43.7000 0.2 . 1 . . . . A 106 ARG CD . 18323 1 242 . 1 1 29 29 ARG N N 15 117.8070 0.1 . 1 . . . . A 106 ARG N . 18323 1 243 . 1 1 30 30 HIS H H 1 8.0300 0.01 . 1 . . . . A 107 HIS H . 18323 1 244 . 1 1 30 30 HIS HB2 H 1 3.3760 0.01 . 2 . . . . A 107 HIS HB2 . 18323 1 245 . 1 1 30 30 HIS C C 13 177.8620 0.2 . 1 . . . . A 107 HIS C . 18323 1 246 . 1 1 30 30 HIS CA C 13 59.9340 0.2 . 1 . . . . A 107 HIS CA . 18323 1 247 . 1 1 30 30 HIS CB C 13 30.6340 0.2 . 1 . . . . A 107 HIS CB . 18323 1 248 . 1 1 30 30 HIS N N 15 119.8490 0.1 . 1 . . . . A 107 HIS N . 18323 1 249 . 1 1 31 31 VAL H H 1 8.3220 0.01 . 1 . . . . A 108 VAL H . 18323 1 250 . 1 1 31 31 VAL C C 13 178.4370 0.2 . 1 . . . . A 108 VAL C . 18323 1 251 . 1 1 31 31 VAL CA C 13 66.9660 0.2 . 1 . . . . A 108 VAL CA . 18323 1 252 . 1 1 31 31 VAL CB C 13 31.8060 0.2 . 1 . . . . A 108 VAL CB . 18323 1 253 . 1 1 31 31 VAL N N 15 119.7840 0.1 . 1 . . . . A 108 VAL N . 18323 1 254 . 1 1 32 32 MET H H 1 8.3970 0.01 . 1 . . . . A 109 MET H . 18323 1 255 . 1 1 32 32 MET HA H 1 4.3430 0.01 . 1 . . . . A 109 MET HA . 18323 1 256 . 1 1 32 32 MET HB2 H 1 2.0140 0.01 . 2 . . . . A 109 MET HB2 . 18323 1 257 . 1 1 32 32 MET HG2 H 1 2.4230 0.01 . 2 . . . . A 109 MET HG2 . 18323 1 258 . 1 1 32 32 MET C C 13 179.2960 0.2 . 1 . . . . A 109 MET C . 18323 1 259 . 1 1 32 32 MET CA C 13 57.0040 0.2 . 1 . . . . A 109 MET CA . 18323 1 260 . 1 1 32 32 MET CB C 13 29.4620 0.2 . 1 . . . . A 109 MET CB . 18323 1 261 . 1 1 32 32 MET CG C 13 32.0220 0.2 . 1 . . . . A 109 MET CG . 18323 1 262 . 1 1 32 32 MET N N 15 115.6990 0.1 . 1 . . . . A 109 MET N . 18323 1 263 . 1 1 33 33 THR H H 1 8.2960 0.01 . 1 . . . . A 110 THR H . 18323 1 264 . 1 1 33 33 THR HG21 H 1 1.2260 0.01 . 1 . . . . A 110 THR HG21 . 18323 1 265 . 1 1 33 33 THR HG22 H 1 1.2260 0.01 . 1 . . . . A 110 THR HG22 . 18323 1 266 . 1 1 33 33 THR HG23 H 1 1.2260 0.01 . 1 . . . . A 110 THR HG23 . 18323 1 267 . 1 1 33 33 THR C C 13 178.2900 0.2 . 1 . . . . A 110 THR C . 18323 1 268 . 1 1 33 33 THR CA C 13 66.3800 0.2 . 1 . . . . A 110 THR CA . 18323 1 269 . 1 1 33 33 THR CB C 13 68.7240 0.2 . 1 . . . . A 110 THR CB . 18323 1 270 . 1 1 33 33 THR CG2 C 13 21.5350 0.2 . 1 . . . . A 110 THR CG2 . 18323 1 271 . 1 1 33 33 THR N N 15 116.3620 0.1 . 1 . . . . A 110 THR N . 18323 1 272 . 1 1 34 34 ASN H H 1 7.9360 0.01 . 1 . . . . A 111 ASN H . 18323 1 273 . 1 1 34 34 ASN HA H 1 4.6190 0.01 . 1 . . . . A 111 ASN HA . 18323 1 274 . 1 1 34 34 ASN HB2 H 1 2.8180 0.01 . 2 . . . . A 111 ASN HB2 . 18323 1 275 . 1 1 34 34 ASN C C 13 176.6980 0.2 . 1 . . . . A 111 ASN C . 18323 1 276 . 1 1 34 34 ASN CA C 13 55.8320 0.2 . 1 . . . . A 111 ASN CA . 18323 1 277 . 1 1 34 34 ASN CB C 13 38.2520 0.2 . 1 . . . . A 111 ASN CB . 18323 1 278 . 1 1 34 34 ASN N N 15 122.8090 0.1 . 1 . . . . A 111 ASN N . 18323 1 279 . 1 1 35 35 LEU H H 1 7.8150 0.01 . 1 . . . . A 112 LEU H . 18323 1 280 . 1 1 35 35 LEU HA H 1 4.3220 0.01 . 1 . . . . A 112 LEU HA . 18323 1 281 . 1 1 35 35 LEU HB2 H 1 1.9130 0.01 . 2 . . . . A 112 LEU HB2 . 18323 1 282 . 1 1 35 35 LEU HG H 1 1.6860 0.01 . 1 . . . . A 112 LEU HG . 18323 1 283 . 1 1 35 35 LEU HD11 H 1 0.8010 0.01 . 2 . . . . A 112 LEU HD11 . 18323 1 284 . 1 1 35 35 LEU HD12 H 1 0.8010 0.01 . 2 . . . . A 112 LEU HD12 . 18323 1 285 . 1 1 35 35 LEU HD13 H 1 0.8010 0.01 . 2 . . . . A 112 LEU HD13 . 18323 1 286 . 1 1 35 35 LEU C C 13 177.2050 0.2 . 1 . . . . A 112 LEU C . 18323 1 287 . 1 1 35 35 LEU CA C 13 55.2460 0.2 . 1 . . . . A 112 LEU CA . 18323 1 288 . 1 1 35 35 LEU CB C 13 42.3540 0.2 . 1 . . . . A 112 LEU CB . 18323 1 289 . 1 1 35 35 LEU CG C 13 25.8830 0.2 . 1 . . . . A 112 LEU CG . 18323 1 290 . 1 1 35 35 LEU CD1 C 13 22.8270 0.2 . 2 . . . . A 112 LEU CD1 . 18323 1 291 . 1 1 35 35 LEU CD2 C 13 22.8270 0.2 . 2 . . . . A 112 LEU CD2 . 18323 1 292 . 1 1 35 35 LEU N N 15 118.5230 0.1 . 1 . . . . A 112 LEU N . 18323 1 293 . 1 1 36 36 GLY H H 1 7.8530 0.01 . 1 . . . . A 113 GLY H . 18323 1 294 . 1 1 36 36 GLY HA2 H 1 4.2400 0.01 . 2 . . . . A 113 GLY HA2 . 18323 1 295 . 1 1 36 36 GLY HA3 H 1 3.7450 0.01 . 2 . . . . A 113 GLY HA3 . 18323 1 296 . 1 1 36 36 GLY C C 13 174.3540 0.2 . 1 . . . . A 113 GLY C . 18323 1 297 . 1 1 36 36 GLY CA C 13 45.2840 0.2 . 1 . . . . A 113 GLY CA . 18323 1 298 . 1 1 36 36 GLY N N 15 107.2030 0.1 . 1 . . . . A 113 GLY N . 18323 1 299 . 1 1 37 37 GLU H H 1 7.9090 0.01 . 1 . . . . A 114 GLU H . 18323 1 300 . 1 1 37 37 GLU HA H 1 4.4350 0.01 . 1 . . . . A 114 GLU HA . 18323 1 301 . 1 1 37 37 GLU HB2 H 1 2.0550 0.01 . 2 . . . . A 114 GLU HB2 . 18323 1 302 . 1 1 37 37 GLU C C 13 175.3590 0.2 . 1 . . . . A 114 GLU C . 18323 1 303 . 1 1 37 37 GLU CA C 13 54.6600 0.2 . 1 . . . . A 114 GLU CA . 18323 1 304 . 1 1 37 37 GLU CB C 13 30.6340 0.2 . 1 . . . . A 114 GLU CB . 18323 1 305 . 1 1 37 37 GLU CG C 13 35.0280 0.2 . 1 . . . . A 114 GLU CG . 18323 1 306 . 1 1 37 37 GLU N N 15 120.1990 0.1 . 1 . . . . A 114 GLU N . 18323 1 307 . 1 1 38 38 LYS H H 1 8.6420 0.01 . 1 . . . . A 115 LYS H . 18323 1 308 . 1 1 38 38 LYS HA H 1 4.3720 0.01 . 1 . . . . A 115 LYS HA . 18323 1 309 . 1 1 38 38 LYS HB2 H 1 1.6690 0.01 . 2 . . . . A 115 LYS HB2 . 18323 1 310 . 1 1 38 38 LYS HD3 H 1 1.3530 0.01 . 2 . . . . A 115 LYS HD3 . 18323 1 311 . 1 1 38 38 LYS HE3 H 1 2.9620 0.01 . 2 . . . . A 115 LYS HE3 . 18323 1 312 . 1 1 38 38 LYS C C 13 175.4640 0.2 . 1 . . . . A 115 LYS C . 18323 1 313 . 1 1 38 38 LYS CA C 13 55.2460 0.2 . 1 . . . . A 115 LYS CA . 18323 1 314 . 1 1 38 38 LYS CB C 13 31.8060 0.2 . 1 . . . . A 115 LYS CB . 18323 1 315 . 1 1 38 38 LYS CG C 13 24.4860 0.2 . 1 . . . . A 115 LYS CG . 18323 1 316 . 1 1 38 38 LYS CD C 13 29.1230 0.2 . 1 . . . . A 115 LYS CD . 18323 1 317 . 1 1 38 38 LYS CE C 13 42.1070 0.2 . 1 . . . . A 115 LYS CE . 18323 1 318 . 1 1 38 38 LYS N N 15 124.4250 0.1 . 1 . . . . A 115 LYS N . 18323 1 319 . 1 1 39 39 LEU H H 1 8.1020 0.01 . 1 . . . . A 116 LEU H . 18323 1 320 . 1 1 39 39 LEU HA H 1 4.7420 0.01 . 1 . . . . A 116 LEU HA . 18323 1 321 . 1 1 39 39 LEU HB2 H 1 1.6050 0.01 . 2 . . . . A 116 LEU HB2 . 18323 1 322 . 1 1 39 39 LEU HG H 1 1.4200 0.01 . 1 . . . . A 116 LEU HG . 18323 1 323 . 1 1 39 39 LEU HD11 H 1 0.7260 0.01 . 2 . . . . A 116 LEU HD11 . 18323 1 324 . 1 1 39 39 LEU HD12 H 1 0.7260 0.01 . 2 . . . . A 116 LEU HD12 . 18323 1 325 . 1 1 39 39 LEU HD13 H 1 0.7260 0.01 . 2 . . . . A 116 LEU HD13 . 18323 1 326 . 1 1 39 39 LEU C C 13 178.3510 0.2 . 1 . . . . A 116 LEU C . 18323 1 327 . 1 1 39 39 LEU CA C 13 54.0740 0.2 . 1 . . . . A 116 LEU CA . 18323 1 328 . 1 1 39 39 LEU CB C 13 44.1120 0.2 . 1 . . . . A 116 LEU CB . 18323 1 329 . 1 1 39 39 LEU CG C 13 27.9720 0.2 . 1 . . . . A 116 LEU CG . 18323 1 330 . 1 1 39 39 LEU CD1 C 13 24.4390 0.2 . 2 . . . . A 116 LEU CD1 . 18323 1 331 . 1 1 39 39 LEU CD2 C 13 26.7550 0.2 . 2 . . . . A 116 LEU CD2 . 18323 1 332 . 1 1 39 39 LEU N N 15 125.2580 0.1 . 1 . . . . A 116 LEU N . 18323 1 333 . 1 1 40 40 THR H H 1 9.2970 0.01 . 1 . . . . A 117 THR H . 18323 1 334 . 1 1 40 40 THR HA H 1 4.7440 0.01 . 1 . . . . A 117 THR HA . 18323 1 335 . 1 1 40 40 THR HB H 1 4.4560 0.01 . 1 . . . . A 117 THR HB . 18323 1 336 . 1 1 40 40 THR HG21 H 1 1.3230 0.01 . 1 . . . . A 117 THR HG21 . 18323 1 337 . 1 1 40 40 THR HG22 H 1 1.3230 0.01 . 1 . . . . A 117 THR HG22 . 18323 1 338 . 1 1 40 40 THR HG23 H 1 1.3230 0.01 . 1 . . . . A 117 THR HG23 . 18323 1 339 . 1 1 40 40 THR C C 13 175.5220 0.2 . 1 . . . . A 117 THR C . 18323 1 340 . 1 1 40 40 THR CA C 13 60.5200 0.2 . 1 . . . . A 117 THR CA . 18323 1 341 . 1 1 40 40 THR CB C 13 71.0680 0.2 . 1 . . . . A 117 THR CB . 18323 1 342 . 1 1 40 40 THR CG2 C 13 21.8760 0.2 . 1 . . . . A 117 THR CG2 . 18323 1 343 . 1 1 40 40 THR N N 15 114.8110 0.1 . 1 . . . . A 117 THR N . 18323 1 344 . 1 1 41 41 ASP H H 1 8.9670 0.01 . 1 . . . . A 118 ASP H . 18323 1 345 . 1 1 41 41 ASP HB2 H 1 2.7450 0.01 . 2 . . . . A 118 ASP HB2 . 18323 1 346 . 1 1 41 41 ASP HB3 H 1 2.5940 0.01 . 2 . . . . A 118 ASP HB3 . 18323 1 347 . 1 1 41 41 ASP C C 13 178.6440 0.2 . 1 . . . . A 118 ASP C . 18323 1 348 . 1 1 41 41 ASP CA C 13 57.5900 0.2 . 1 . . . . A 118 ASP CA . 18323 1 349 . 1 1 41 41 ASP CB C 13 39.4240 0.2 . 1 . . . . A 118 ASP CB . 18323 1 350 . 1 1 41 41 ASP N N 15 121.2320 0.1 . 1 . . . . A 118 ASP N . 18323 1 351 . 1 1 42 42 GLU H H 1 8.6790 0.01 . 1 . . . . A 119 GLU H . 18323 1 352 . 1 1 42 42 GLU HA H 1 4.0510 0.01 . 1 . . . . A 119 GLU HA . 18323 1 353 . 1 1 42 42 GLU HB2 H 1 2.0930 0.01 . 2 . . . . A 119 GLU HB2 . 18323 1 354 . 1 1 42 42 GLU HG2 H 1 2.3600 0.01 . 2 . . . . A 119 GLU HG2 . 18323 1 355 . 1 1 42 42 GLU C C 13 178.8470 0.2 . 1 . . . . A 119 GLU C . 18323 1 356 . 1 1 42 42 GLU CA C 13 59.9340 0.2 . 1 . . . . A 119 GLU CA . 18323 1 357 . 1 1 42 42 GLU CB C 13 28.8760 0.2 . 1 . . . . A 119 GLU CB . 18323 1 358 . 1 1 42 42 GLU CG C 13 36.2010 0.2 . 1 . . . . A 119 GLU CG . 18323 1 359 . 1 1 42 42 GLU N N 15 119.3570 0.1 . 1 . . . . A 119 GLU N . 18323 1 360 . 1 1 43 43 GLU H H 1 7.9980 0.01 . 1 . . . . A 120 GLU H . 18323 1 361 . 1 1 43 43 GLU HA H 1 4.0030 0.01 . 1 . . . . A 120 GLU HA . 18323 1 362 . 1 1 43 43 GLU HG2 H 1 2.2470 0.01 . 2 . . . . A 120 GLU HG2 . 18323 1 363 . 1 1 43 43 GLU C C 13 179.9960 0.2 . 1 . . . . A 120 GLU C . 18323 1 364 . 1 1 43 43 GLU CA C 13 59.3480 0.2 . 1 . . . . A 120 GLU CA . 18323 1 365 . 1 1 43 43 GLU CB C 13 30.0480 0.2 . 1 . . . . A 120 GLU CB . 18323 1 366 . 1 1 43 43 GLU CG C 13 37.7610 0.2 . 1 . . . . A 120 GLU CG . 18323 1 367 . 1 1 43 43 GLU N N 15 118.7610 0.1 . 1 . . . . A 120 GLU N . 18323 1 368 . 1 1 44 44 VAL H H 1 8.0510 0.01 . 1 . . . . A 121 VAL H . 18323 1 369 . 1 1 44 44 VAL HA H 1 3.4390 0.01 . 1 . . . . A 121 VAL HA . 18323 1 370 . 1 1 44 44 VAL HG11 H 1 0.9320 0.01 . 2 . . . . A 121 VAL HG11 . 18323 1 371 . 1 1 44 44 VAL HG12 H 1 0.9320 0.01 . 2 . . . . A 121 VAL HG12 . 18323 1 372 . 1 1 44 44 VAL HG13 H 1 0.9320 0.01 . 2 . . . . A 121 VAL HG13 . 18323 1 373 . 1 1 44 44 VAL C C 13 177.4890 0.2 . 1 . . . . A 121 VAL C . 18323 1 374 . 1 1 44 44 VAL CA C 13 66.9660 0.2 . 1 . . . . A 121 VAL CA . 18323 1 375 . 1 1 44 44 VAL CB C 13 31.2200 0.2 . 1 . . . . A 121 VAL CB . 18323 1 376 . 1 1 44 44 VAL N N 15 121.1650 0.1 . 1 . . . . A 121 VAL N . 18323 1 377 . 1 1 45 45 ASP H H 1 8.0920 0.01 . 1 . . . . A 122 ASP H . 18323 1 378 . 1 1 45 45 ASP HA H 1 4.3380 0.01 . 1 . . . . A 122 ASP HA . 18323 1 379 . 1 1 45 45 ASP HB2 H 1 2.7020 0.01 . 2 . . . . A 122 ASP HB2 . 18323 1 380 . 1 1 45 45 ASP C C 13 179.2260 0.2 . 1 . . . . A 122 ASP C . 18323 1 381 . 1 1 45 45 ASP CA C 13 57.5900 0.2 . 1 . . . . A 122 ASP CA . 18323 1 382 . 1 1 45 45 ASP CB C 13 40.5960 0.2 . 1 . . . . A 122 ASP CB . 18323 1 383 . 1 1 45 45 ASP N N 15 119.5070 0.1 . 1 . . . . A 122 ASP N . 18323 1 384 . 1 1 46 46 GLU H H 1 8.1310 0.01 . 1 . . . . A 123 GLU H . 18323 1 385 . 1 1 46 46 GLU HA H 1 4.0330 0.01 . 1 . . . . A 123 GLU HA . 18323 1 386 . 1 1 46 46 GLU HB2 H 1 2.3660 0.01 . 2 . . . . A 123 GLU HB2 . 18323 1 387 . 1 1 46 46 GLU HG2 H 1 2.6780 0.01 . 2 . . . . A 123 GLU HG2 . 18323 1 388 . 1 1 46 46 GLU C C 13 178.6120 0.2 . 1 . . . . A 123 GLU C . 18323 1 389 . 1 1 46 46 GLU CA C 13 59.3480 0.2 . 1 . . . . A 123 GLU CA . 18323 1 390 . 1 1 46 46 GLU CB C 13 29.4620 0.2 . 1 . . . . A 123 GLU CB . 18323 1 391 . 1 1 46 46 GLU CG C 13 35.9860 0.2 . 1 . . . . A 123 GLU CG . 18323 1 392 . 1 1 46 46 GLU N N 15 119.8710 0.1 . 1 . . . . A 123 GLU N . 18323 1 393 . 1 1 47 47 MET H H 1 7.7810 0.01 . 1 . . . . A 124 MET H . 18323 1 394 . 1 1 47 47 MET CA C 13 60.5200 0.2 . 1 . . . . A 124 MET CA . 18323 1 395 . 1 1 47 47 MET CB C 13 32.9780 0.2 . 1 . . . . A 124 MET CB . 18323 1 396 . 1 1 47 47 MET N N 15 119.3950 0.1 . 1 . . . . A 124 MET N . 18323 1 397 . 1 1 48 48 ILE HA H 1 4.2340 0.01 . 1 . . . . A 125 ILE HA . 18323 1 398 . 1 1 48 48 ILE HB H 1 1.8920 0.01 . 1 . . . . A 125 ILE HB . 18323 1 399 . 1 1 48 48 ILE C C 13 177.5300 0.2 . 1 . . . . A 125 ILE C . 18323 1 400 . 1 1 48 48 ILE CA C 13 63.4500 0.2 . 1 . . . . A 125 ILE CA . 18323 1 401 . 1 1 48 48 ILE CB C 13 35.9080 0.2 . 1 . . . . A 125 ILE CB . 18323 1 402 . 1 1 48 48 ILE CG1 C 13 27.2470 0.2 . 1 . . . . A 125 ILE CG1 . 18323 1 403 . 1 1 48 48 ILE CG2 C 13 16.4530 0.2 . 1 . . . . A 125 ILE CG2 . 18323 1 404 . 1 1 48 48 ILE CD1 C 13 10.1100 0.2 . 1 . . . . A 125 ILE CD1 . 18323 1 405 . 1 1 49 49 ARG H H 1 8.5550 0.01 . 1 . . . . A 126 ARG H . 18323 1 406 . 1 1 49 49 ARG HA H 1 4.1050 0.01 . 1 . . . . A 126 ARG HA . 18323 1 407 . 1 1 49 49 ARG HB2 H 1 1.9090 0.01 . 2 . . . . A 126 ARG HB2 . 18323 1 408 . 1 1 49 49 ARG HG2 H 1 1.7110 0.01 . 2 . . . . A 126 ARG HG2 . 18323 1 409 . 1 1 49 49 ARG HD3 H 1 3.2680 0.01 . 2 . . . . A 126 ARG HD3 . 18323 1 410 . 1 1 49 49 ARG C C 13 178.9280 0.2 . 1 . . . . A 126 ARG C . 18323 1 411 . 1 1 49 49 ARG CA C 13 59.9340 0.2 . 1 . . . . A 126 ARG CA . 18323 1 412 . 1 1 49 49 ARG CB C 13 30.4140 0.2 . 1 . . . . A 126 ARG CB . 18323 1 413 . 1 1 49 49 ARG CG C 13 27.9440 0.2 . 1 . . . . A 126 ARG CG . 18323 1 414 . 1 1 49 49 ARG CD C 13 43.4760 0.2 . 1 . . . . A 126 ARG CD . 18323 1 415 . 1 1 49 49 ARG N N 15 118.4030 0.1 . 1 . . . . A 126 ARG N . 18323 1 416 . 1 1 50 50 GLU H H 1 7.9900 0.01 . 1 . . . . A 127 GLU H . 18323 1 417 . 1 1 50 50 GLU HA H 1 4.0390 0.01 . 1 . . . . A 127 GLU HA . 18323 1 418 . 1 1 50 50 GLU HB2 H 1 2.2350 0.01 . 2 . . . . A 127 GLU HB2 . 18323 1 419 . 1 1 50 50 GLU HG2 H 1 2.4190 0.01 . 2 . . . . A 127 GLU HG2 . 18323 1 420 . 1 1 50 50 GLU C C 13 176.9410 0.2 . 1 . . . . A 127 GLU C . 18323 1 421 . 1 1 50 50 GLU CA C 13 58.7620 0.2 . 1 . . . . A 127 GLU CA . 18323 1 422 . 1 1 50 50 GLU CB C 13 30.0480 0.2 . 1 . . . . A 127 GLU CB . 18323 1 423 . 1 1 50 50 GLU CG C 13 36.0530 0.2 . 1 . . . . A 127 GLU CG . 18323 1 424 . 1 1 50 50 GLU N N 15 116.3470 0.1 . 1 . . . . A 127 GLU N . 18323 1 425 . 1 1 51 51 ALA H H 1 7.1260 0.01 . 1 . . . . A 128 ALA H . 18323 1 426 . 1 1 51 51 ALA HA H 1 4.4560 0.01 . 1 . . . . A 128 ALA HA . 18323 1 427 . 1 1 51 51 ALA HB1 H 1 1.1740 0.01 . 1 . . . . A 128 ALA HB1 . 18323 1 428 . 1 1 51 51 ALA HB2 H 1 1.1740 0.01 . 1 . . . . A 128 ALA HB2 . 18323 1 429 . 1 1 51 51 ALA HB3 H 1 1.1740 0.01 . 1 . . . . A 128 ALA HB3 . 18323 1 430 . 1 1 51 51 ALA C C 13 177.7570 0.2 . 1 . . . . A 128 ALA C . 18323 1 431 . 1 1 51 51 ALA CA C 13 51.7300 0.2 . 1 . . . . A 128 ALA CA . 18323 1 432 . 1 1 51 51 ALA CB C 13 21.8440 0.2 . 1 . . . . A 128 ALA CB . 18323 1 433 . 1 1 51 51 ALA N N 15 117.2510 0.1 . 1 . . . . A 128 ALA N . 18323 1 434 . 1 1 52 52 ASP H H 1 7.9620 0.01 . 1 . . . . A 129 ASP H . 18323 1 435 . 1 1 52 52 ASP HA H 1 4.5020 0.01 . 1 . . . . A 129 ASP HA . 18323 1 436 . 1 1 52 52 ASP HB2 H 1 2.8450 0.01 . 2 . . . . A 129 ASP HB2 . 18323 1 437 . 1 1 52 52 ASP HB3 H 1 2.5250 0.01 . 2 . . . . A 129 ASP HB3 . 18323 1 438 . 1 1 52 52 ASP C C 13 175.8540 0.2 . 1 . . . . A 129 ASP C . 18323 1 439 . 1 1 52 52 ASP CA C 13 54.0740 0.2 . 1 . . . . A 129 ASP CA . 18323 1 440 . 1 1 52 52 ASP CB C 13 40.5960 0.2 . 1 . . . . A 129 ASP CB . 18323 1 441 . 1 1 52 52 ASP N N 15 117.9090 0.1 . 1 . . . . A 129 ASP N . 18323 1 442 . 1 1 53 53 ILE H H 1 8.2610 0.01 . 1 . . . . A 130 ILE H . 18323 1 443 . 1 1 53 53 ILE HD11 H 1 0.9200 0.01 . 1 . . . . A 130 ILE HD11 . 18323 1 444 . 1 1 53 53 ILE HD12 H 1 0.9200 0.01 . 1 . . . . A 130 ILE HD12 . 18323 1 445 . 1 1 53 53 ILE HD13 H 1 0.9200 0.01 . 1 . . . . A 130 ILE HD13 . 18323 1 446 . 1 1 53 53 ILE C C 13 177.9950 0.2 . 1 . . . . A 130 ILE C . 18323 1 447 . 1 1 53 53 ILE CA C 13 63.4500 0.2 . 1 . . . . A 130 ILE CA . 18323 1 448 . 1 1 53 53 ILE CB C 13 38.8380 0.2 . 1 . . . . A 130 ILE CB . 18323 1 449 . 1 1 53 53 ILE CG1 C 13 27.8000 0.2 . 1 . . . . A 130 ILE CG1 . 18323 1 450 . 1 1 53 53 ILE CG2 C 13 17.3560 0.2 . 1 . . . . A 130 ILE CG2 . 18323 1 451 . 1 1 53 53 ILE CD1 C 13 12.6000 0.2 . 1 . . . . A 130 ILE CD1 . 18323 1 452 . 1 1 53 53 ILE N N 15 127.9000 0.1 . 1 . . . . A 130 ILE N . 18323 1 453 . 1 1 54 54 ASP H H 1 8.3720 0.01 . 1 . . . . A 131 ASP H . 18323 1 454 . 1 1 54 54 ASP HA H 1 4.5410 0.01 . 1 . . . . A 131 ASP HA . 18323 1 455 . 1 1 54 54 ASP HB2 H 1 3.0930 0.01 . 2 . . . . A 131 ASP HB2 . 18323 1 456 . 1 1 54 54 ASP HB3 H 1 2.6770 0.01 . 2 . . . . A 131 ASP HB3 . 18323 1 457 . 1 1 54 54 ASP C C 13 178.2830 0.2 . 1 . . . . A 131 ASP C . 18323 1 458 . 1 1 54 54 ASP CA C 13 54.0740 0.2 . 1 . . . . A 131 ASP CA . 18323 1 459 . 1 1 54 54 ASP CB C 13 40.0100 0.2 . 1 . . . . A 131 ASP CB . 18323 1 460 . 1 1 54 54 ASP N N 15 116.6780 0.1 . 1 . . . . A 131 ASP N . 18323 1 461 . 1 1 55 55 GLY H H 1 7.6790 0.01 . 1 . . . . A 132 GLY H . 18323 1 462 . 1 1 55 55 GLY HA2 H 1 4.0000 0.01 . 2 . . . . A 132 GLY HA2 . 18323 1 463 . 1 1 55 55 GLY HA3 H 1 3.8470 0.01 . 2 . . . . A 132 GLY HA3 . 18323 1 464 . 1 1 55 55 GLY C C 13 175.3650 0.2 . 1 . . . . A 132 GLY C . 18323 1 465 . 1 1 55 55 GLY CA C 13 47.6280 0.2 . 1 . . . . A 132 GLY CA . 18323 1 466 . 1 1 55 55 GLY N N 15 108.8660 0.1 . 1 . . . . A 132 GLY N . 18323 1 467 . 1 1 56 56 ASP H H 1 8.4150 0.01 . 1 . . . . A 133 ASP H . 18323 1 468 . 1 1 56 56 ASP HA H 1 4.4930 0.01 . 1 . . . . A 133 ASP HA . 18323 1 469 . 1 1 56 56 ASP HB2 H 1 2.9820 0.01 . 2 . . . . A 133 ASP HB2 . 18323 1 470 . 1 1 56 56 ASP HB3 H 1 2.5330 0.01 . 2 . . . . A 133 ASP HB3 . 18323 1 471 . 1 1 56 56 ASP C C 13 177.5820 0.2 . 1 . . . . A 133 ASP C . 18323 1 472 . 1 1 56 56 ASP CA C 13 53.4880 0.2 . 1 . . . . A 133 ASP CA . 18323 1 473 . 1 1 56 56 ASP CB C 13 40.0100 0.2 . 1 . . . . A 133 ASP CB . 18323 1 474 . 1 1 56 56 ASP N N 15 120.9680 0.1 . 1 . . . . A 133 ASP N . 18323 1 475 . 1 1 57 57 GLY H H 1 10.3000 0.01 . 1 . . . . A 134 GLY H . 18323 1 476 . 1 1 57 57 GLY HA2 H 1 4.0810 0.01 . 2 . . . . A 134 GLY HA2 . 18323 1 477 . 1 1 57 57 GLY HA3 H 1 3.4710 0.01 . 2 . . . . A 134 GLY HA3 . 18323 1 478 . 1 1 57 57 GLY C C 13 172.8470 0.2 . 1 . . . . A 134 GLY C . 18323 1 479 . 1 1 57 57 GLY CA C 13 45.8700 0.2 . 1 . . . . A 134 GLY CA . 18323 1 480 . 1 1 57 57 GLY N N 15 112.8210 0.1 . 1 . . . . A 134 GLY N . 18323 1 481 . 1 1 58 58 GLN H H 1 8.0220 0.01 . 1 . . . . A 135 GLN H . 18323 1 482 . 1 1 58 58 GLN HA H 1 5.0030 0.01 . 1 . . . . A 135 GLN HA . 18323 1 483 . 1 1 58 58 GLN HB2 H 1 2.0260 0.01 . 2 . . . . A 135 GLN HB2 . 18323 1 484 . 1 1 58 58 GLN C C 13 175.0190 0.2 . 1 . . . . A 135 GLN C . 18323 1 485 . 1 1 58 58 GLN CA C 13 52.9020 0.2 . 1 . . . . A 135 GLN CA . 18323 1 486 . 1 1 58 58 GLN CB C 13 32.9780 0.2 . 1 . . . . A 135 GLN CB . 18323 1 487 . 1 1 58 58 GLN N N 15 115.3910 0.1 . 1 . . . . A 135 GLN N . 18323 1 488 . 1 1 59 59 VAL H H 1 9.1760 0.01 . 1 . . . . A 136 VAL H . 18323 1 489 . 1 1 59 59 VAL HA H 1 5.1340 0.01 . 1 . . . . A 136 VAL HA . 18323 1 490 . 1 1 59 59 VAL C C 13 175.9120 0.2 . 1 . . . . A 136 VAL C . 18323 1 491 . 1 1 59 59 VAL CA C 13 61.6130 0.2 . 1 . . . . A 136 VAL CA . 18323 1 492 . 1 1 59 59 VAL CB C 13 33.6940 0.2 . 1 . . . . A 136 VAL CB . 18323 1 493 . 1 1 59 59 VAL N N 15 125.5960 0.1 . 1 . . . . A 136 VAL N . 18323 1 494 . 1 1 60 60 ASN H H 1 9.5760 0.01 . 1 . . . . A 137 ASN H . 18323 1 495 . 1 1 60 60 ASN HA H 1 5.3710 0.01 . 1 . . . . A 137 ASN HA . 18323 1 496 . 1 1 60 60 ASN HB2 H 1 3.1600 0.01 . 2 . . . . A 137 ASN HB2 . 18323 1 497 . 1 1 60 60 ASN C C 13 174.8050 0.2 . 1 . . . . A 137 ASN C . 18323 1 498 . 1 1 60 60 ASN CA C 13 51.1440 0.2 . 1 . . . . A 137 ASN CA . 18323 1 499 . 1 1 60 60 ASN CB C 13 38.2520 0.2 . 1 . . . . A 137 ASN CB . 18323 1 500 . 1 1 60 60 ASN N N 15 129.2290 0.1 . 1 . . . . A 137 ASN N . 18323 1 501 . 1 1 61 61 TYR H H 1 8.2680 0.01 . 1 . . . . A 138 TYR H . 18323 1 502 . 1 1 61 61 TYR HB2 H 1 2.3770 0.01 . 2 . . . . A 138 TYR HB2 . 18323 1 503 . 1 1 61 61 TYR HB3 H 1 2.0890 0.01 . 2 . . . . A 138 TYR HB3 . 18323 1 504 . 1 1 61 61 TYR C C 13 176.1190 0.2 . 1 . . . . A 138 TYR C . 18323 1 505 . 1 1 61 61 TYR CA C 13 62.2780 0.2 . 1 . . . . A 138 TYR CA . 18323 1 506 . 1 1 61 61 TYR CB C 13 37.6660 0.2 . 1 . . . . A 138 TYR CB . 18323 1 507 . 1 1 61 61 TYR N N 15 118.5970 0.1 . 1 . . . . A 138 TYR N . 18323 1 508 . 1 1 62 62 GLU H H 1 8.0870 0.01 . 1 . . . . A 139 GLU H . 18323 1 509 . 1 1 62 62 GLU HA H 1 4.1230 0.01 . 1 . . . . A 139 GLU HA . 18323 1 510 . 1 1 62 62 GLU HB3 H 1 2.0490 0.01 . 2 . . . . A 139 GLU HB3 . 18323 1 511 . 1 1 62 62 GLU HG2 H 1 2.3600 0.01 . 2 . . . . A 139 GLU HG2 . 18323 1 512 . 1 1 62 62 GLU C C 13 179.1890 0.2 . 1 . . . . A 139 GLU C . 18323 1 513 . 1 1 62 62 GLU CA C 13 59.9340 0.2 . 1 . . . . A 139 GLU CA . 18323 1 514 . 1 1 62 62 GLU CB C 13 28.8760 0.2 . 1 . . . . A 139 GLU CB . 18323 1 515 . 1 1 62 62 GLU CG C 13 36.8720 0.2 . 1 . . . . A 139 GLU CG . 18323 1 516 . 1 1 62 62 GLU N N 15 118.4410 0.1 . 1 . . . . A 139 GLU N . 18323 1 517 . 1 1 63 63 GLU H H 1 7.7610 0.01 . 1 . . . . A 140 GLU H . 18323 1 518 . 1 1 63 63 GLU HA H 1 3.9140 0.01 . 1 . . . . A 140 GLU HA . 18323 1 519 . 1 1 63 63 GLU HB2 H 1 2.3780 0.01 . 2 . . . . A 140 GLU HB2 . 18323 1 520 . 1 1 63 63 GLU HG2 H 1 2.8700 0.01 . 2 . . . . A 140 GLU HG2 . 18323 1 521 . 1 1 63 63 GLU C C 13 179.3280 0.2 . 1 . . . . A 140 GLU C . 18323 1 522 . 1 1 63 63 GLU CA C 13 58.7620 0.2 . 1 . . . . A 140 GLU CA . 18323 1 523 . 1 1 63 63 GLU CB C 13 29.4620 0.2 . 1 . . . . A 140 GLU CB . 18323 1 524 . 1 1 63 63 GLU CG C 13 37.2800 0.2 . 1 . . . . A 140 GLU CG . 18323 1 525 . 1 1 63 63 GLU N N 15 120.9920 0.1 . 1 . . . . A 140 GLU N . 18323 1 526 . 1 1 64 64 PHE H H 1 8.5290 0.01 . 1 . . . . A 141 PHE H . 18323 1 527 . 1 1 64 64 PHE C C 13 176.8430 0.2 . 1 . . . . A 141 PHE C . 18323 1 528 . 1 1 64 64 PHE CA C 13 61.6920 0.2 . 1 . . . . A 141 PHE CA . 18323 1 529 . 1 1 64 64 PHE CB C 13 39.9170 0.2 . 1 . . . . A 141 PHE CB . 18323 1 530 . 1 1 64 64 PHE N N 15 123.7980 0.1 . 1 . . . . A 141 PHE N . 18323 1 531 . 1 1 65 65 VAL H H 1 8.6720 0.01 . 1 . . . . A 142 VAL H . 18323 1 532 . 1 1 65 65 VAL C C 13 179.4970 0.2 . 1 . . . . A 142 VAL C . 18323 1 533 . 1 1 65 65 VAL CA C 13 66.9660 0.2 . 1 . . . . A 142 VAL CA . 18323 1 534 . 1 1 65 65 VAL CB C 13 31.2200 0.2 . 1 . . . . A 142 VAL CB . 18323 1 535 . 1 1 65 65 VAL N N 15 119.2180 0.1 . 1 . . . . A 142 VAL N . 18323 1 536 . 1 1 66 66 GLN H H 1 7.5500 0.01 . 1 . . . . A 143 GLN H . 18323 1 537 . 1 1 66 66 GLN HA H 1 3.8450 0.01 . 1 . . . . A 143 GLN HA . 18323 1 538 . 1 1 66 66 GLN HG2 H 1 2.3740 0.01 . 2 . . . . A 143 GLN HG2 . 18323 1 539 . 1 1 66 66 GLN C C 13 177.8810 0.2 . 1 . . . . A 143 GLN C . 18323 1 540 . 1 1 66 66 GLN CA C 13 58.7620 0.2 . 1 . . . . A 143 GLN CA . 18323 1 541 . 1 1 66 66 GLN CB C 13 27.7040 0.2 . 1 . . . . A 143 GLN CB . 18323 1 542 . 1 1 66 66 GLN CG C 13 33.8930 0.2 . 1 . . . . A 143 GLN CG . 18323 1 543 . 1 1 66 66 GLN N N 15 118.3620 0.1 . 1 . . . . A 143 GLN N . 18323 1 544 . 1 1 67 67 MET H H 1 7.3000 0.01 . 1 . . . . A 144 MET H . 18323 1 545 . 1 1 67 67 MET HB2 H 1 2.0370 0.01 . 2 . . . . A 144 MET HB2 . 18323 1 546 . 1 1 67 67 MET HG2 H 1 2.8960 0.01 . 2 . . . . A 144 MET HG2 . 18323 1 547 . 1 1 67 67 MET C C 13 177.8030 0.2 . 1 . . . . A 144 MET C . 18323 1 548 . 1 1 67 67 MET CA C 13 56.4180 0.2 . 1 . . . . A 144 MET CA . 18323 1 549 . 1 1 67 67 MET CB C 13 31.8060 0.2 . 1 . . . . A 144 MET CB . 18323 1 550 . 1 1 67 67 MET CG C 13 30.9780 0.2 . 1 . . . . A 144 MET CG . 18323 1 551 . 1 1 67 67 MET N N 15 116.7200 0.1 . 1 . . . . A 144 MET N . 18323 1 552 . 1 1 68 68 MET H H 1 7.7320 0.01 . 1 . . . . A 145 MET H . 18323 1 553 . 1 1 68 68 MET HA H 1 4.1150 0.01 . 1 . . . . A 145 MET HA . 18323 1 554 . 1 1 68 68 MET HB2 H 1 2.0740 0.01 . 2 . . . . A 145 MET HB2 . 18323 1 555 . 1 1 68 68 MET C C 13 177.2030 0.2 . 1 . . . . A 145 MET C . 18323 1 556 . 1 1 68 68 MET CA C 13 56.4180 0.2 . 1 . . . . A 145 MET CA . 18323 1 557 . 1 1 68 68 MET CB C 13 31.8060 0.2 . 1 . . . . A 145 MET CB . 18323 1 558 . 1 1 68 68 MET CG C 13 32.2730 0.2 . 1 . . . . A 145 MET CG . 18323 1 559 . 1 1 68 68 MET N N 15 116.1160 0.1 . 1 . . . . A 145 MET N . 18323 1 560 . 1 1 69 69 THR H H 1 7.6490 0.01 . 1 . . . . A 146 THR H . 18323 1 561 . 1 1 69 69 THR HA H 1 4.2880 0.01 . 1 . . . . A 146 THR HA . 18323 1 562 . 1 1 69 69 THR C C 13 174.1540 0.2 . 1 . . . . A 146 THR C . 18323 1 563 . 1 1 69 69 THR CA C 13 61.6920 0.2 . 1 . . . . A 146 THR CA . 18323 1 564 . 1 1 69 69 THR CB C 13 69.8960 0.2 . 1 . . . . A 146 THR CB . 18323 1 565 . 1 1 69 69 THR CG2 C 13 21.3340 0.2 . 1 . . . . A 146 THR CG2 . 18323 1 566 . 1 1 69 69 THR N N 15 108.8680 0.1 . 1 . . . . A 146 THR N . 18323 1 567 . 1 1 70 70 ALA H H 1 7.5460 0.01 . 1 . . . . A 147 ALA H . 18323 1 568 . 1 1 70 70 ALA HA H 1 4.2870 0.01 . 1 . . . . A 147 ALA HA . 18323 1 569 . 1 1 70 70 ALA HB1 H 1 1.4210 0.01 . 1 . . . . A 147 ALA HB1 . 18323 1 570 . 1 1 70 70 ALA HB2 H 1 1.4210 0.01 . 1 . . . . A 147 ALA HB2 . 18323 1 571 . 1 1 70 70 ALA HB3 H 1 1.4210 0.01 . 1 . . . . A 147 ALA HB3 . 18323 1 572 . 1 1 70 70 ALA C C 13 176.6860 0.2 . 1 . . . . A 147 ALA C . 18323 1 573 . 1 1 70 70 ALA CA C 13 52.9020 0.2 . 1 . . . . A 147 ALA CA . 18323 1 574 . 1 1 70 70 ALA CB C 13 18.9140 0.2 . 1 . . . . A 147 ALA CB . 18323 1 575 . 1 1 70 70 ALA N N 15 126.9340 0.1 . 1 . . . . A 147 ALA N . 18323 1 576 . 1 1 71 71 LYS H H 1 7.9350 0.01 . 1 . . . . A 148 LYS H . 18323 1 577 . 1 1 71 71 LYS CA C 13 57.5900 0.2 . 1 . . . . A 148 LYS CA . 18323 1 578 . 1 1 71 71 LYS CB C 13 34.1500 0.2 . 1 . . . . A 148 LYS CB . 18323 1 579 . 1 1 71 71 LYS N N 15 126.3110 0.1 . 1 . . . . A 148 LYS N . 18323 1 stop_ save_